(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide

C18H21NO2 — CID 7314172

IUPAC(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc([C@H](C)O)c1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-17(14-8-5-4-6-9-14)18(21)19-16-11-7-10-15(12-16)13(2)20/h4-13,17,20H,3H2,1-2H3,(H,19,21)/t13-,17+/m0/s1
InChIKeyJANQIHLDHGTDLA-SUMWQHHRSA-N
MW283.37 g/mol
LogP3.87
Rot. Bonds5

About (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide

(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide (PubChem CID 7314172) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
PubChem CID7314172
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc([C@H](C)O)c1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-17(14-8-5-4-6-9-14)18(21)19-16-11-7-10-15(12-16)13(2)20/h4-13,17,20H,3H2,1-2H3,(H,19,21)/t13-,17+/m0/s1
InChIKeyJANQIHLDHGTDLA-SUMWQHHRSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide (CID 7314172) is (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cccc([C@H](C)O)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide?
The InChIKey is JANQIHLDHGTDLA-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-17(14-8-5-4-6-9-14)18(21)19-16-11-7-10-15(12-16)13(2)20/h4-13,17,20H,3H2,1-2H3,(H,19,21)/t13-,17+/m0/s1.
What are the key properties of (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide?
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide has a molecular weight of 283.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7314172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).